› 3w2q

X-ray diffraction
2.2Å resolution

EGFR kinase domain T790M/L858R mutant with HKI-272

Released:
DOI: 10.2210/pdb3w2q/pdb
PDB entry 3w2q coloured by chain, front view.
PDB entry 3w2q coloured by chain, side view.
PDB entry 3w2q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Sogabe S, Kawakita Y, Igaki S, Iwata H, Miki H, Cary DR, Takagi T, Takagi S, Ohta Y, Ishikawa T
ACS Med Chem Lett 4 201-5 (2013)
PMID: 24900643

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132671 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epidermal growth factor receptor Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 38.02 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00533 (Residues: 698-1022; Coverage: 27%)
Gene names: EGFR, ERBB, ERBB1, HER1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand HKI 1 x HKI
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: I23
Unit cell:
a: 144.113Å b: 144.113Å c: 144.113Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.2
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

Preclinical Characteristics of the Irreversible Pan-HER Kinase Inhibitor Neratinib Compared with Lapatinib: Implications for the Treatment of HER2-Positive and HER2-Mutated Breast Cancer.
Collins et al. (2019)
6 more

10 mentions without citation

Globally Approved EGFR Inhibitors: Insights into Their Syntheses, Target Kinases, Biological Activities, Receptor Interactions, and Metabolism.
Abourehab et al. (2021)
9 more